methyl 4-[1,3-benzothiazol-2-yl(2-pyrazol-1-ylethyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[1,3-benzothiazol-2-yl(2-pyrazol-1-ylethyl)carbamoyl]benzoate Openeye Name: methyl 4-[1,3-benzothiazol-2-yl(2-pyrazol-1-ylethyl)carbamoyl]benzoate CAS Name: 4-[[1,3-benzothiazol-2-yl-[2-(1-pyrazolyl)ethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1,3-benzothiazol-2-yl(2-pyrazol-1-ylethyl)carbamoyl]benzoate Traditional Name: 4-[1,3-benzothiazol-2-yl(2-pyrazol-1-ylethyl)carbamoyl]benzoic acid methyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N(CCN2C=CC=N2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N(CCN2C=CC=N2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N4O3S/c1-28-20(27)16-9-7-15(8-10-16)19(26)25(14-13-24-12-4-11-22-24)21-23-17-5-2-3-6-18(17)29-21/h2-12H,13-14H2,1H3